This project focuses on various aspects of surface processes which have
a direct impact on the understanding of atomic details of solid surfaces.
This understanding is critical for the correct interpretation of
tunneling microscopy (STM) images, and other technical areas such as
protection, sensors, and electronics. One of the goals of this project
to simulate plane wave codes, which provide the density of states only
a few Angstroms above the surface of various materials which are
under experimental investigation.
These `simulated' STM images will shed light on the materials that are best
suited for STM. A second goal is to simulate surface defects, such as step
edges, which are thought to beimportant in chemical processes. The objective
is to investigate a hypothesis that a far-ranging electrostatic repulsion
can cause certain adsorbates to avoid step edges, as recent experiments
show. The mathematical description of these phenomena relies on the modeling
of atomic forces acting on the material surface.